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77191-07-2 | 1H-Pyrrole-3-carboxaldehyde, 2,5-dihydro-2,2,4,5,5-pentamethyl-
CAS No: 77191-07-2 Catalog No: AG008NMF MDL No:
Product Description
Catalog Number:
AG008NMF
Chemical Name:
1H-Pyrrole-3-carboxaldehyde, 2,5-dihydro-2,2,4,5,5-pentamethyl-
CAS Number:
77191-07-2
Molecular Formula:
C10H17NO
Molecular Weight:
167.2481
IUPAC Name:
2,2,4,5,5-pentamethyl-1H-pyrrole-3-carbaldehyde
InChI:
InChI=1S/C10H17NO/c1-7-8(6-12)10(4,5)11-9(7,2)3/h6,11H,1-5H3
InChI Key:
KQCAARBOQRQIKO-UHFFFAOYSA-N
SMILES:
O=CC1=C(C)C(NC1(C)C)(C)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.252g/mol
Monoisotopic Mass:
167.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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